SCHEMBL14360219

SCHEMBL14360219

COc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCC(=O)NP)cc2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MDM2 Q00987 1/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ ADAMTS5 Q9UNA0 2/20 0.39
▸ TP53 P04637 2/20 0.38
▸ MDM4 O15151 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TSHR P16473 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ FABP5 Q01469 1/20 0.37
▸ USP2 O75604 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14123991 0.94 NPC1 (0.44) NPC1RAB9AMDM2KMT2AMEN1
SCHEMBL12568257 0.92 RAB9A (0.43) NPC1RAB9AMDM2KMT2AMEN1
SCHEMBL5813924 0.92 NPC1 (0.43) NPC1RAB9AMDM2KMT2AMEN1
SCHEMBL29470540 0.91 KMT2A (0.45) NPC1RAB9AMDM2KMT2AMEN1
SCHEMBL3367289 0.91 KMT2A (0.45) NPC1RAB9AMDM2KMT2AMEN1
SCHEMBL31146900 0.91 KMT2A (0.45) NPC1RAB9AMDM2KMT2AMEN1
SCHEMBL1745934 0.91 KMT2A (0.45) NPC1RAB9AMDM2KMT2AMEN1
SCHEMBL14416300 0.91 KMT2A (0.42) NPC1RAB9AMDM2KMT2AMEN1
SCHEMBL29368397 0.91 KMT2A (0.45) NPC1RAB9AMDM2KMT2AMEN1
SCHEMBL1000962 0.91 KMT2A (0.45) NPC1RAB9AMDM2KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867633-A1 Polyamine analogues as therapeutic and diagnostic agents MediQuest Therapeutics, Inc. (US) 2007-12-19 — — EP disclosed
US-7208528-B1 Polyamine analogues as therapeutic and diagnostic agents MEDIQUEST THERAPEUTICS, INC. (US) 2007-04-24 — — US disclosed
US-7160923-B1 Polyamine analogues as therapeutic and diagnostic agents MEDIQUEST THERAPEUTICS, INC. (US) 2007-01-09 — — US disclosed
Send feedback